ethyl 4-(2-chlorophenyl)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(2-chlorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H25ClN3O4S+ MolecularWeight: 450.9589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H24ClN3O4S/c1-3-29-21(28)19-16(15-6-4-5-7-17(15)22)13-30-20(19)23-18(27)12-24-8-10-25(11-9-24)14(2)26/h4-7,13H,3,8-12H2,1-2H3,(H,23,27)/p+1